USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 522 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 SER OG : rot -27:sc= 0.407 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -171:sc= 1.19 (180deg=1.01) USER MOD Single : A 5 CYS SG : rot 140:sc= -1.24 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc=-0.00103 K(o=-0.001,f=-0.88) USER MOD Single : A 10 THR OG1 : rot 55:sc= 0.475 USER MOD Single : A 16 SER OG : rot 30:sc= 0.256 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.51) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.566) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0364 K(o=-0.036,f=-0.71) USER MOD Single : A 53 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.27) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -12.888 -0.319 9.644 1.00 2.35 N ATOM 18 CA SER A 2 -11.820 -0.404 8.661 1.00 1.54 C ATOM 19 C SER A 2 -10.801 -1.449 9.130 1.00 1.41 C ATOM 20 O SER A 2 -10.427 -1.452 10.307 1.00 2.03 O ATOM 21 CB SER A 2 -11.205 0.992 8.479 1.00 1.99 C ATOM 22 OG SER A 2 -11.050 1.643 9.730 1.00 2.93 O ATOM 0 HA SER A 2 -12.192 -0.726 7.688 1.00 1.54 H new ATOM 0 HB2 SER A 2 -10.236 0.906 7.987 1.00 1.99 H new ATOM 0 HB3 SER A 2 -11.841 1.592 7.828 1.00 1.99 H new ATOM 0 HG SER A 2 -11.722 1.306 10.359 1.00 2.93 H new ATOM 28 N SER A 3 -10.374 -2.336 8.230 1.00 0.86 N ATOM 29 CA SER A 3 -9.458 -3.443 8.506 1.00 0.70 C ATOM 30 C SER A 3 -8.061 -3.080 8.014 1.00 0.54 C ATOM 31 O SER A 3 -7.911 -2.094 7.301 1.00 0.58 O ATOM 32 CB SER A 3 -9.968 -4.705 7.804 1.00 0.94 C ATOM 33 OG SER A 3 -11.270 -4.993 8.269 1.00 2.00 O ATOM 0 H SER A 3 -10.667 -2.302 7.254 1.00 0.86 H new ATOM 0 HA SER A 3 -9.410 -3.632 9.578 1.00 0.70 H new ATOM 0 HB2 SER A 3 -9.977 -4.558 6.724 1.00 0.94 H new ATOM 0 HB3 SER A 3 -9.302 -5.544 8.006 1.00 0.94 H new ATOM 0 HG SER A 3 -11.606 -5.799 7.824 1.00 2.00 H new ATOM 39 N LYS A 4 -7.037 -3.855 8.381 1.00 0.48 N ATOM 40 CA LYS A 4 -5.676 -3.650 7.901 1.00 0.49 C ATOM 41 C LYS A 4 -5.374 -4.612 6.759 1.00 0.47 C ATOM 42 O LYS A 4 -5.685 -5.797 6.849 1.00 0.68 O ATOM 43 CB LYS A 4 -4.679 -3.785 9.058 1.00 0.62 C ATOM 44 CG LYS A 4 -4.272 -2.397 9.575 1.00 1.49 C ATOM 45 CD LYS A 4 -4.063 -2.429 11.091 1.00 1.91 C ATOM 46 CE LYS A 4 -3.568 -1.065 11.597 1.00 3.03 C ATOM 47 NZ LYS A 4 -2.750 -1.220 12.812 1.00 3.29 N ATOM 0 H LYS A 4 -7.133 -4.643 9.021 1.00 0.48 H new ATOM 0 HA LYS A 4 -5.576 -2.638 7.508 1.00 0.49 H new ATOM 0 HB2 LYS A 4 -5.125 -4.365 9.866 1.00 0.62 H new ATOM 0 HB3 LYS A 4 -3.796 -4.330 8.724 1.00 0.62 H new ATOM 0 HG2 LYS A 4 -3.355 -2.074 9.082 1.00 1.49 H new ATOM 0 HG3 LYS A 4 -5.043 -1.668 9.324 1.00 1.49 H new ATOM 0 HD2 LYS A 4 -4.998 -2.690 11.587 1.00 1.91 H new ATOM 0 HD3 LYS A 4 -3.339 -3.203 11.348 1.00 1.91 H new ATOM 0 HE2 LYS A 4 -2.982 -0.575 10.819 1.00 3.03 H new ATOM 0 HE3 LYS A 4 -4.421 -0.420 11.808 1.00 3.03 H new ATOM 0 HZ1 LYS A 4 -2.555 -0.284 13.221 1.00 3.29 H new ATOM 0 HZ2 LYS A 4 -3.264 -1.800 13.505 1.00 3.29 H new ATOM 0 HZ3 LYS A 4 -1.852 -1.686 12.569 1.00 3.29 H new ATOM 61 N CYS A 5 -4.783 -4.080 5.688 1.00 0.47 N ATOM 62 CA CYS A 5 -4.212 -4.843 4.592 1.00 0.50 C ATOM 63 C CYS A 5 -2.701 -4.693 4.709 1.00 0.44 C ATOM 64 O CYS A 5 -2.166 -3.589 4.825 1.00 0.52 O ATOM 65 CB CYS A 5 -4.756 -4.417 3.222 1.00 0.80 C ATOM 66 SG CYS A 5 -4.637 -2.638 2.937 1.00 2.36 S ATOM 0 H CYS A 5 -4.689 -3.072 5.562 1.00 0.47 H new ATOM 0 HA CYS A 5 -4.497 -5.893 4.664 1.00 0.50 H new ATOM 0 HB2 CYS A 5 -4.207 -4.942 2.440 1.00 0.80 H new ATOM 0 HB3 CYS A 5 -5.799 -4.723 3.140 1.00 0.80 H new ATOM 0 HG CYS A 5 -4.279 -2.419 1.707 1.00 2.36 H new ATOM 72 N TYR A 6 -2.017 -5.831 4.768 1.00 0.42 N ATOM 73 CA TYR A 6 -0.588 -5.899 4.956 1.00 0.47 C ATOM 74 C TYR A 6 -0.040 -5.977 3.539 1.00 0.53 C ATOM 75 O TYR A 6 -0.452 -6.847 2.783 1.00 0.68 O ATOM 76 CB TYR A 6 -0.301 -7.146 5.808 1.00 0.56 C ATOM 77 CG TYR A 6 1.058 -7.214 6.474 1.00 1.07 C ATOM 78 CD1 TYR A 6 2.234 -7.130 5.708 1.00 2.84 C ATOM 79 CD2 TYR A 6 1.142 -7.477 7.856 1.00 1.69 C ATOM 80 CE1 TYR A 6 3.484 -7.300 6.323 1.00 3.59 C ATOM 81 CE2 TYR A 6 2.396 -7.644 8.468 1.00 2.15 C ATOM 82 CZ TYR A 6 3.565 -7.563 7.699 1.00 2.78 C ATOM 83 OH TYR A 6 4.778 -7.822 8.263 1.00 3.70 O ATOM 0 H TYR A 6 -2.458 -6.747 4.684 1.00 0.42 H new ATOM 0 HA TYR A 6 -0.131 -5.059 5.479 1.00 0.47 H new ATOM 0 HB2 TYR A 6 -1.064 -7.212 6.583 1.00 0.56 H new ATOM 0 HB3 TYR A 6 -0.414 -8.025 5.174 1.00 0.56 H new ATOM 0 HD1 TYR A 6 2.175 -6.935 4.647 1.00 2.84 H new ATOM 0 HD2 TYR A 6 0.240 -7.550 8.446 1.00 1.69 H new ATOM 0 HE1 TYR A 6 4.387 -7.228 5.735 1.00 3.59 H new ATOM 0 HE2 TYR A 6 2.459 -7.834 9.529 1.00 2.15 H new ATOM 0 HH TYR A 6 4.665 -7.983 9.223 1.00 3.70 H new ATOM 93 N ILE A 7 0.825 -5.058 3.121 1.00 0.50 N ATOM 94 CA ILE A 7 1.386 -5.114 1.776 1.00 0.49 C ATOM 95 C ILE A 7 2.891 -5.271 1.941 1.00 0.49 C ATOM 96 O ILE A 7 3.467 -4.785 2.918 1.00 0.54 O ATOM 97 CB ILE A 7 0.929 -3.919 0.906 1.00 0.48 C ATOM 98 CG1 ILE A 7 -0.556 -3.617 1.185 1.00 0.56 C ATOM 99 CG2 ILE A 7 1.087 -4.208 -0.600 1.00 0.45 C ATOM 100 CD1 ILE A 7 -1.215 -2.662 0.183 1.00 0.92 C ATOM 0 H ILE A 7 1.150 -4.274 3.687 1.00 0.50 H new ATOM 0 HA ILE A 7 1.013 -5.968 1.211 1.00 0.49 H new ATOM 0 HB ILE A 7 1.559 -3.068 1.166 1.00 0.48 H new ATOM 0 HG12 ILE A 7 -1.109 -4.556 1.189 1.00 0.56 H new ATOM 0 HG13 ILE A 7 -0.644 -3.191 2.184 1.00 0.56 H new ATOM 0 HG21 ILE A 7 0.754 -3.343 -1.173 1.00 0.45 H new ATOM 0 HG22 ILE A 7 2.134 -4.411 -0.824 1.00 0.45 H new ATOM 0 HG23 ILE A 7 0.484 -5.075 -0.869 1.00 0.45 H new ATOM 0 HD11 ILE A 7 -2.258 -2.508 0.459 1.00 0.92 H new ATOM 0 HD12 ILE A 7 -0.692 -1.706 0.194 1.00 0.92 H new ATOM 0 HD13 ILE A 7 -1.164 -3.092 -0.817 1.00 0.92 H new ATOM 112 N GLN A 8 3.526 -6.023 1.044 1.00 0.50 N ATOM 113 CA GLN A 8 4.971 -6.144 1.017 1.00 0.51 C ATOM 114 C GLN A 8 5.469 -5.836 -0.381 1.00 0.49 C ATOM 115 O GLN A 8 4.691 -5.788 -1.337 1.00 0.53 O ATOM 116 CB GLN A 8 5.440 -7.517 1.517 1.00 0.58 C ATOM 117 CG GLN A 8 4.719 -7.873 2.820 1.00 2.20 C ATOM 118 CD GLN A 8 5.368 -9.014 3.596 1.00 2.10 C ATOM 119 OE1 GLN A 8 6.577 -9.211 3.545 1.00 1.37 O ATOM 120 NE2 GLN A 8 4.577 -9.750 4.372 1.00 3.73 N ATOM 0 H GLN A 8 3.050 -6.561 0.320 1.00 0.50 H new ATOM 0 HA GLN A 8 5.403 -5.419 1.706 1.00 0.51 H new ATOM 0 HB2 GLN A 8 5.239 -8.277 0.761 1.00 0.58 H new ATOM 0 HB3 GLN A 8 6.518 -7.506 1.679 1.00 0.58 H new ATOM 0 HG2 GLN A 8 4.683 -6.989 3.456 1.00 2.20 H new ATOM 0 HG3 GLN A 8 3.688 -8.143 2.591 1.00 2.20 H new ATOM 0 HE21 GLN A 8 3.574 -9.567 4.397 1.00 3.73 H new ATOM 0 HE22 GLN A 8 4.974 -10.497 4.942 1.00 3.73 H new ATOM 129 N VAL A 9 6.763 -5.546 -0.462 1.00 0.58 N ATOM 130 CA VAL A 9 7.386 -5.025 -1.660 1.00 0.63 C ATOM 131 C VAL A 9 8.879 -5.303 -1.579 1.00 0.67 C ATOM 132 O VAL A 9 9.446 -5.275 -0.489 1.00 0.87 O ATOM 133 CB VAL A 9 7.075 -3.524 -1.767 1.00 0.73 C ATOM 134 CG1 VAL A 9 7.171 -2.820 -0.415 1.00 2.41 C ATOM 135 CG2 VAL A 9 7.993 -2.834 -2.782 1.00 2.51 C ATOM 0 H VAL A 9 7.412 -5.670 0.315 1.00 0.58 H new ATOM 0 HA VAL A 9 7.000 -5.506 -2.559 1.00 0.63 H new ATOM 0 HB VAL A 9 6.045 -3.446 -2.116 1.00 0.73 H new ATOM 0 HG11 VAL A 9 6.943 -1.761 -0.539 1.00 2.41 H new ATOM 0 HG12 VAL A 9 6.458 -3.266 0.279 1.00 2.41 H new ATOM 0 HG13 VAL A 9 8.180 -2.930 -0.018 1.00 2.41 H new ATOM 0 HG21 VAL A 9 7.747 -1.773 -2.833 1.00 2.51 H new ATOM 0 HG22 VAL A 9 9.031 -2.951 -2.472 1.00 2.51 H new ATOM 0 HG23 VAL A 9 7.855 -3.287 -3.764 1.00 2.51 H new ATOM 145 N THR A 10 9.526 -5.542 -2.719 1.00 0.68 N ATOM 146 CA THR A 10 10.952 -5.815 -2.752 1.00 0.82 C ATOM 147 C THR A 10 11.695 -4.582 -3.257 1.00 0.83 C ATOM 148 O THR A 10 12.183 -4.570 -4.385 1.00 0.98 O ATOM 149 CB THR A 10 11.182 -7.077 -3.591 1.00 1.01 C ATOM 150 OG1 THR A 10 10.709 -6.848 -4.902 1.00 1.73 O ATOM 151 CG2 THR A 10 10.428 -8.266 -2.974 1.00 1.66 C ATOM 0 H THR A 10 9.077 -5.551 -3.635 1.00 0.68 H new ATOM 0 HA THR A 10 11.352 -6.016 -1.758 1.00 0.82 H new ATOM 0 HB THR A 10 12.247 -7.308 -3.613 1.00 1.01 H new ATOM 0 HG1 THR A 10 11.135 -6.045 -5.268 1.00 1.73 H new ATOM 0 HG21 THR A 10 10.598 -9.157 -3.578 1.00 1.66 H new ATOM 0 HG22 THR A 10 10.790 -8.440 -1.960 1.00 1.66 H new ATOM 0 HG23 THR A 10 9.361 -8.045 -2.946 1.00 1.66 H new ATOM 218 N SER A 16 12.646 7.925 -1.386 1.00 1.04 N ATOM 219 CA SER A 16 11.394 8.514 -0.926 1.00 1.02 C ATOM 220 C SER A 16 10.182 7.853 -1.582 1.00 1.21 C ATOM 221 O SER A 16 9.144 8.490 -1.756 1.00 2.18 O ATOM 222 CB SER A 16 11.407 10.033 -1.154 1.00 1.38 C ATOM 223 OG SER A 16 12.620 10.590 -0.679 1.00 1.44 O ATOM 0 HA SER A 16 11.305 8.331 0.145 1.00 1.02 H new ATOM 0 HB2 SER A 16 11.291 10.249 -2.216 1.00 1.38 H new ATOM 0 HB3 SER A 16 10.562 10.492 -0.641 1.00 1.38 H new ATOM 0 HG SER A 16 13.339 9.929 -0.764 1.00 1.44 H new ATOM 229 N CYS A 17 10.297 6.570 -1.938 1.00 0.82 N ATOM 230 CA CYS A 17 9.244 5.907 -2.695 1.00 0.89 C ATOM 231 C CYS A 17 7.998 5.734 -1.832 1.00 0.83 C ATOM 232 O CYS A 17 6.899 6.090 -2.254 1.00 0.89 O ATOM 233 CB CYS A 17 9.711 4.558 -3.246 1.00 0.95 C ATOM 234 SG CYS A 17 8.613 4.110 -4.613 1.00 2.14 S ATOM 0 H CYS A 17 11.099 5.981 -1.715 1.00 0.82 H new ATOM 0 HA CYS A 17 8.996 6.541 -3.546 1.00 0.89 H new ATOM 0 HB2 CYS A 17 10.743 4.622 -3.590 1.00 0.95 H new ATOM 0 HB3 CYS A 17 9.682 3.796 -2.467 1.00 0.95 H new ATOM 0 HG CYS A 17 8.982 2.966 -5.109 1.00 2.14 H new ATOM 240 N VAL A 18 8.178 5.187 -0.620 1.00 0.79 N ATOM 241 CA VAL A 18 7.083 4.902 0.303 1.00 0.80 C ATOM 242 C VAL A 18 6.190 6.119 0.437 1.00 0.72 C ATOM 243 O VAL A 18 5.015 6.050 0.113 1.00 0.66 O ATOM 244 CB VAL A 18 7.599 4.366 1.650 1.00 0.86 C ATOM 245 CG1 VAL A 18 8.386 5.306 2.567 1.00 2.19 C ATOM 246 CG2 VAL A 18 6.495 3.726 2.479 1.00 1.92 C ATOM 0 H VAL A 18 9.096 4.931 -0.256 1.00 0.79 H new ATOM 0 HA VAL A 18 6.470 4.099 -0.107 1.00 0.80 H new ATOM 0 HB VAL A 18 8.330 3.642 1.291 1.00 0.86 H new ATOM 0 HG11 VAL A 18 8.675 4.773 3.473 1.00 2.19 H new ATOM 0 HG12 VAL A 18 9.280 5.655 2.050 1.00 2.19 H new ATOM 0 HG13 VAL A 18 7.764 6.161 2.832 1.00 2.19 H new ATOM 0 HG21 VAL A 18 6.910 3.364 3.420 1.00 1.92 H new ATOM 0 HG22 VAL A 18 5.720 4.464 2.685 1.00 1.92 H new ATOM 0 HG23 VAL A 18 6.063 2.891 1.927 1.00 1.92 H new ATOM 256 N ALA A 19 6.797 7.244 0.793 1.00 0.80 N ATOM 257 CA ALA A 19 6.141 8.542 0.928 1.00 0.77 C ATOM 258 C ALA A 19 5.147 8.826 -0.209 1.00 0.70 C ATOM 259 O ALA A 19 4.024 9.276 0.034 1.00 0.70 O ATOM 260 CB ALA A 19 7.202 9.640 1.015 1.00 0.88 C ATOM 0 H ALA A 19 7.794 7.281 1.003 1.00 0.80 H new ATOM 0 HA ALA A 19 5.554 8.525 1.846 1.00 0.77 H new ATOM 0 HB1 ALA A 19 6.715 10.610 1.116 1.00 0.88 H new ATOM 0 HB2 ALA A 19 7.839 9.462 1.881 1.00 0.88 H new ATOM 0 HB3 ALA A 19 7.809 9.632 0.110 1.00 0.88 H new ATOM 266 N ASN A 20 5.544 8.562 -1.460 1.00 0.71 N ATOM 267 CA ASN A 20 4.651 8.783 -2.590 1.00 0.70 C ATOM 268 C ASN A 20 3.450 7.848 -2.499 1.00 0.64 C ATOM 269 O ASN A 20 2.309 8.293 -2.609 1.00 0.64 O ATOM 270 CB ASN A 20 5.374 8.603 -3.927 1.00 0.77 C ATOM 271 CG ASN A 20 4.390 8.819 -5.075 1.00 0.78 C ATOM 272 OD1 ASN A 20 4.064 9.953 -5.410 1.00 1.11 O ATOM 273 ND2 ASN A 20 3.890 7.741 -5.673 1.00 1.09 N ATOM 0 H ASN A 20 6.465 8.200 -1.707 1.00 0.71 H new ATOM 0 HA ASN A 20 4.303 9.815 -2.545 1.00 0.70 H new ATOM 0 HB2 ASN A 20 6.199 9.311 -4.004 1.00 0.77 H new ATOM 0 HB3 ASN A 20 5.805 7.604 -3.987 1.00 0.77 H new ATOM 0 HD21 ASN A 20 3.217 7.845 -6.432 1.00 1.09 H new ATOM 0 HD22 ASN A 20 4.180 6.810 -5.373 1.00 1.09 H new ATOM 280 N ILE A 21 3.702 6.553 -2.290 1.00 0.66 N ATOM 281 CA ILE A 21 2.630 5.588 -2.106 1.00 0.62 C ATOM 282 C ILE A 21 1.742 6.043 -0.950 1.00 0.53 C ATOM 283 O ILE A 21 0.541 6.145 -1.159 1.00 0.54 O ATOM 284 CB ILE A 21 3.177 4.157 -1.899 1.00 0.69 C ATOM 285 CG1 ILE A 21 3.664 3.521 -3.209 1.00 0.81 C ATOM 286 CG2 ILE A 21 2.123 3.202 -1.352 1.00 0.69 C ATOM 287 CD1 ILE A 21 5.111 3.912 -3.493 1.00 1.74 C ATOM 0 H ILE A 21 4.640 6.155 -2.245 1.00 0.66 H new ATOM 0 HA ILE A 21 2.026 5.545 -3.012 1.00 0.62 H new ATOM 0 HB ILE A 21 3.997 4.287 -1.192 1.00 0.69 H new ATOM 0 HG12 ILE A 21 3.581 2.436 -3.145 1.00 0.81 H new ATOM 0 HG13 ILE A 21 3.027 3.841 -4.033 1.00 0.81 H new ATOM 0 HG21 ILE A 21 2.560 2.211 -1.226 1.00 0.69 H new ATOM 0 HG22 ILE A 21 1.766 3.567 -0.389 1.00 0.69 H new ATOM 0 HG23 ILE A 21 1.288 3.144 -2.050 1.00 0.69 H new ATOM 0 HD11 ILE A 21 5.436 3.451 -4.426 1.00 1.74 H new ATOM 0 HD12 ILE A 21 5.185 4.996 -3.579 1.00 1.74 H new ATOM 0 HD13 ILE A 21 5.747 3.569 -2.677 1.00 1.74 H new ATOM 299 N GLU A 22 2.293 6.344 0.230 1.00 0.55 N ATOM 300 CA GLU A 22 1.560 6.815 1.398 1.00 0.57 C ATOM 301 C GLU A 22 0.597 7.937 1.030 1.00 0.58 C ATOM 302 O GLU A 22 -0.557 7.914 1.419 1.00 0.70 O ATOM 303 CB GLU A 22 2.527 7.328 2.471 1.00 0.67 C ATOM 304 CG GLU A 22 3.389 6.231 3.091 1.00 0.67 C ATOM 305 CD GLU A 22 4.375 6.835 4.082 1.00 0.88 C ATOM 306 OE1 GLU A 22 3.899 7.323 5.129 1.00 1.77 O ATOM 307 OE2 GLU A 22 5.577 6.862 3.747 1.00 1.82 O ATOM 0 H GLU A 22 3.296 6.262 0.399 1.00 0.55 H new ATOM 0 HA GLU A 22 0.992 5.969 1.786 1.00 0.57 H new ATOM 0 HB2 GLU A 22 3.177 8.084 2.031 1.00 0.67 H new ATOM 0 HB3 GLU A 22 1.955 7.818 3.259 1.00 0.67 H new ATOM 0 HG2 GLU A 22 2.755 5.502 3.596 1.00 0.67 H new ATOM 0 HG3 GLU A 22 3.929 5.697 2.309 1.00 0.67 H new ATOM 314 N ARG A 23 1.077 8.931 0.296 1.00 0.63 N ATOM 315 CA ARG A 23 0.350 10.076 -0.196 1.00 0.71 C ATOM 316 C ARG A 23 -0.741 9.691 -1.199 1.00 0.72 C ATOM 317 O ARG A 23 -1.752 10.385 -1.300 1.00 0.95 O ATOM 318 CB ARG A 23 1.336 11.095 -0.781 1.00 0.91 C ATOM 319 CG ARG A 23 0.544 12.342 -1.177 1.00 1.69 C ATOM 320 CD ARG A 23 1.387 13.609 -1.345 1.00 1.83 C ATOM 321 NE ARG A 23 1.673 13.894 -2.761 1.00 3.24 N ATOM 322 CZ ARG A 23 1.917 15.119 -3.260 1.00 3.94 C ATOM 323 NH1 ARG A 23 2.070 16.159 -2.432 1.00 3.73 N ATOM 324 NH2 ARG A 23 2.000 15.304 -4.583 1.00 5.49 N ATOM 0 H ARG A 23 2.057 8.953 0.012 1.00 0.63 H new ATOM 0 HA ARG A 23 -0.174 10.535 0.643 1.00 0.71 H new ATOM 0 HB2 ARG A 23 2.103 11.347 -0.049 1.00 0.91 H new ATOM 0 HB3 ARG A 23 1.847 10.677 -1.648 1.00 0.91 H new ATOM 0 HG2 ARG A 23 0.022 12.142 -2.113 1.00 1.69 H new ATOM 0 HG3 ARG A 23 -0.218 12.527 -0.420 1.00 1.69 H new ATOM 0 HD2 ARG A 23 0.862 14.456 -0.903 1.00 1.83 H new ATOM 0 HD3 ARG A 23 2.325 13.496 -0.801 1.00 1.83 H new ATOM 0 HE ARG A 23 1.687 13.107 -3.409 1.00 3.24 H new ATOM 0 HH11 ARG A 23 2.002 16.022 -1.424 1.00 3.73 H new ATOM 0 HH12 ARG A 23 2.255 17.088 -2.809 1.00 3.73 H new ATOM 0 HH21 ARG A 23 1.878 14.514 -5.217 1.00 5.49 H new ATOM 0 HH22 ARG A 23 2.185 16.235 -4.957 1.00 5.49 H new ATOM 338 N ASN A 24 -0.551 8.610 -1.949 1.00 0.65 N ATOM 339 CA ASN A 24 -1.533 8.134 -2.901 1.00 0.68 C ATOM 340 C ASN A 24 -2.621 7.394 -2.099 1.00 0.68 C ATOM 341 O ASN A 24 -3.806 7.723 -2.163 1.00 0.78 O ATOM 342 CB ASN A 24 -0.761 7.315 -3.955 1.00 0.71 C ATOM 343 CG ASN A 24 -1.303 5.922 -4.166 1.00 2.10 C ATOM 344 OD1 ASN A 24 -2.174 5.697 -4.993 1.00 3.28 O ATOM 345 ND2 ASN A 24 -0.757 4.988 -3.405 1.00 2.73 N ATOM 0 H ASN A 24 0.295 8.041 -1.909 1.00 0.65 H new ATOM 0 HA ASN A 24 -2.066 8.904 -3.459 1.00 0.68 H new ATOM 0 HB2 ASN A 24 -0.783 7.850 -4.904 1.00 0.71 H new ATOM 0 HB3 ASN A 24 0.284 7.246 -3.653 1.00 0.71 H new ATOM 0 HD21 ASN A 24 -1.060 4.018 -3.492 1.00 2.73 H new ATOM 0 HD22 ASN A 24 -0.033 5.238 -2.732 1.00 2.73 H new ATOM 352 N LEU A 25 -2.185 6.473 -1.240 1.00 0.63 N ATOM 353 CA LEU A 25 -3.004 5.666 -0.362 1.00 0.65 C ATOM 354 C LEU A 25 -3.801 6.547 0.576 1.00 0.57 C ATOM 355 O LEU A 25 -4.986 6.316 0.765 1.00 0.84 O ATOM 356 CB LEU A 25 -2.134 4.641 0.385 1.00 0.77 C ATOM 357 CG LEU A 25 -1.579 3.567 -0.575 1.00 1.31 C ATOM 358 CD1 LEU A 25 -0.991 2.372 0.161 1.00 2.77 C ATOM 359 CD2 LEU A 25 -2.613 2.994 -1.547 1.00 1.65 C ATOM 0 H LEU A 25 -1.192 6.265 -1.139 1.00 0.63 H new ATOM 0 HA LEU A 25 -3.724 5.103 -0.955 1.00 0.65 H new ATOM 0 HB2 LEU A 25 -1.307 5.153 0.877 1.00 0.77 H new ATOM 0 HB3 LEU A 25 -2.723 4.162 1.167 1.00 0.77 H new ATOM 0 HG LEU A 25 -0.815 4.113 -1.129 1.00 1.31 H new ATOM 0 HD11 LEU A 25 -0.616 1.648 -0.562 1.00 2.77 H new ATOM 0 HD12 LEU A 25 -0.173 2.705 0.800 1.00 2.77 H new ATOM 0 HD13 LEU A 25 -1.763 1.906 0.774 1.00 2.77 H new ATOM 0 HD21 LEU A 25 -2.139 2.247 -2.184 1.00 1.65 H new ATOM 0 HD22 LEU A 25 -3.423 2.530 -0.984 1.00 1.65 H new ATOM 0 HD23 LEU A 25 -3.015 3.796 -2.166 1.00 1.65 H new ATOM 371 N ARG A 26 -3.191 7.581 1.151 1.00 0.48 N ATOM 372 CA ARG A 26 -3.839 8.319 2.215 1.00 0.54 C ATOM 373 C ARG A 26 -5.189 8.889 1.738 1.00 0.99 C ATOM 374 O ARG A 26 -6.078 9.159 2.544 1.00 1.43 O ATOM 375 CB ARG A 26 -2.975 9.420 2.812 1.00 0.76 C ATOM 376 CG ARG A 26 -2.693 10.501 1.794 1.00 1.98 C ATOM 377 CD ARG A 26 -1.789 11.595 2.374 1.00 2.61 C ATOM 378 NE ARG A 26 -2.463 12.347 3.446 1.00 3.34 N ATOM 379 CZ ARG A 26 -1.944 13.418 4.070 1.00 4.51 C ATOM 380 NH1 ARG A 26 -0.709 13.830 3.766 1.00 5.14 N ATOM 381 NH2 ARG A 26 -2.662 14.075 4.988 1.00 5.52 N ATOM 0 H ARG A 26 -2.262 7.918 0.898 1.00 0.48 H new ATOM 0 HA ARG A 26 -4.010 7.601 3.017 1.00 0.54 H new ATOM 0 HB2 ARG A 26 -3.478 9.853 3.677 1.00 0.76 H new ATOM 0 HB3 ARG A 26 -2.036 8.997 3.168 1.00 0.76 H new ATOM 0 HG2 ARG A 26 -2.218 10.062 0.917 1.00 1.98 H new ATOM 0 HG3 ARG A 26 -3.632 10.942 1.460 1.00 1.98 H new ATOM 0 HD2 ARG A 26 -0.877 11.144 2.764 1.00 2.61 H new ATOM 0 HD3 ARG A 26 -1.492 12.280 1.580 1.00 2.61 H new ATOM 0 HE ARG A 26 -3.389 12.033 3.735 1.00 3.34 H new ATOM 0 HH11 ARG A 26 -0.164 13.332 3.062 1.00 5.14 H new ATOM 0 HH12 ARG A 26 -0.312 14.643 4.238 1.00 5.14 H new ATOM 0 HH21 ARG A 26 -3.606 13.763 5.216 1.00 5.52 H new ATOM 0 HH22 ARG A 26 -2.265 14.888 5.460 1.00 5.52 H new ATOM 395 N ARG A 27 -5.280 9.167 0.426 1.00 1.31 N ATOM 396 CA ARG A 27 -6.442 9.725 -0.239 1.00 1.98 C ATOM 397 C ARG A 27 -7.322 8.683 -0.921 1.00 1.53 C ATOM 398 O ARG A 27 -8.496 8.986 -1.114 1.00 2.10 O ATOM 399 CB ARG A 27 -6.002 10.782 -1.262 1.00 2.95 C ATOM 400 CG ARG A 27 -5.664 12.131 -0.615 1.00 3.31 C ATOM 401 CD ARG A 27 -6.892 13.052 -0.509 1.00 3.84 C ATOM 402 NE ARG A 27 -7.972 12.467 0.307 1.00 4.07 N ATOM 403 CZ ARG A 27 -7.967 12.353 1.647 1.00 4.89 C ATOM 404 NH1 ARG A 27 -6.985 12.919 2.357 1.00 5.30 N ATOM 405 NH2 ARG A 27 -8.927 11.658 2.266 1.00 6.35 N ATOM 0 H ARG A 27 -4.506 8.997 -0.216 1.00 1.31 H new ATOM 0 HA ARG A 27 -7.051 10.178 0.543 1.00 1.98 H new ATOM 0 HB2 ARG A 27 -5.130 10.416 -1.804 1.00 2.95 H new ATOM 0 HB3 ARG A 27 -6.796 10.925 -1.995 1.00 2.95 H new ATOM 0 HG2 ARG A 27 -5.253 11.961 0.380 1.00 3.31 H new ATOM 0 HG3 ARG A 27 -4.889 12.628 -1.199 1.00 3.31 H new ATOM 0 HD2 ARG A 27 -6.590 14.005 -0.075 1.00 3.84 H new ATOM 0 HD3 ARG A 27 -7.271 13.263 -1.509 1.00 3.84 H new ATOM 0 HE ARG A 27 -8.793 12.119 -0.187 1.00 4.07 H new ATOM 0 HH11 ARG A 27 -6.244 13.434 1.882 1.00 5.30 H new ATOM 0 HH12 ARG A 27 -6.977 12.835 3.374 1.00 5.30 H new ATOM 0 HH21 ARG A 27 -9.666 11.213 1.722 1.00 6.35 H new ATOM 0 HH22 ARG A 27 -8.921 11.573 3.282 1.00 6.35 H new ATOM 419 N GLU A 28 -6.787 7.518 -1.309 1.00 1.05 N ATOM 420 CA GLU A 28 -7.572 6.438 -1.908 1.00 0.97 C ATOM 421 C GLU A 28 -8.932 6.287 -1.219 1.00 1.04 C ATOM 422 O GLU A 28 -9.002 6.193 0.008 1.00 1.83 O ATOM 423 CB GLU A 28 -6.836 5.104 -1.775 1.00 1.01 C ATOM 424 CG GLU A 28 -5.985 4.675 -2.973 1.00 1.44 C ATOM 425 CD GLU A 28 -6.073 3.158 -3.149 1.00 2.32 C ATOM 426 OE1 GLU A 28 -7.207 2.687 -3.387 1.00 2.37 O ATOM 427 OE2 GLU A 28 -5.036 2.485 -2.980 1.00 3.92 O ATOM 0 H GLU A 28 -5.795 7.300 -1.215 1.00 1.05 H new ATOM 0 HA GLU A 28 -7.716 6.696 -2.957 1.00 0.97 H new ATOM 0 HB2 GLU A 28 -6.191 5.156 -0.898 1.00 1.01 H new ATOM 0 HB3 GLU A 28 -7.573 4.324 -1.583 1.00 1.01 H new ATOM 0 HG2 GLU A 28 -6.332 5.177 -3.876 1.00 1.44 H new ATOM 0 HG3 GLU A 28 -4.948 4.974 -2.821 1.00 1.44 H new ATOM 434 N GLU A 29 -9.993 6.236 -2.027 1.00 0.87 N ATOM 435 CA GLU A 29 -11.377 6.349 -1.598 1.00 1.02 C ATOM 436 C GLU A 29 -11.819 5.096 -0.822 1.00 0.81 C ATOM 437 O GLU A 29 -12.581 4.267 -1.316 1.00 1.02 O ATOM 438 CB GLU A 29 -12.239 6.657 -2.839 1.00 1.54 C ATOM 439 CG GLU A 29 -13.490 7.491 -2.521 1.00 2.46 C ATOM 440 CD GLU A 29 -13.209 8.990 -2.399 1.00 3.34 C ATOM 441 OE1 GLU A 29 -12.094 9.344 -1.959 1.00 4.53 O ATOM 442 OE2 GLU A 29 -14.125 9.761 -2.752 1.00 3.85 O ATOM 0 H GLU A 29 -9.902 6.110 -3.035 1.00 0.87 H new ATOM 0 HA GLU A 29 -11.503 7.170 -0.892 1.00 1.02 H new ATOM 0 HB2 GLU A 29 -11.632 7.190 -3.571 1.00 1.54 H new ATOM 0 HB3 GLU A 29 -12.545 5.719 -3.302 1.00 1.54 H new ATOM 0 HG2 GLU A 29 -14.232 7.331 -3.303 1.00 2.46 H new ATOM 0 HG3 GLU A 29 -13.928 7.134 -1.589 1.00 2.46 H new ATOM 449 N GLY A 30 -11.320 4.957 0.410 1.00 0.79 N ATOM 450 CA GLY A 30 -11.584 3.827 1.287 1.00 0.63 C ATOM 451 C GLY A 30 -10.416 3.532 2.230 1.00 0.53 C ATOM 452 O GLY A 30 -10.624 2.915 3.276 1.00 0.84 O ATOM 0 H GLY A 30 -10.704 5.652 0.831 1.00 0.79 H new ATOM 0 HA2 GLY A 30 -12.479 4.029 1.875 1.00 0.63 H new ATOM 0 HA3 GLY A 30 -11.792 2.943 0.683 1.00 0.63 H new ATOM 456 N ILE A 31 -9.191 3.949 1.889 1.00 0.49 N ATOM 457 CA ILE A 31 -8.070 3.864 2.810 1.00 0.39 C ATOM 458 C ILE A 31 -8.324 4.764 4.025 1.00 0.41 C ATOM 459 O ILE A 31 -8.949 5.818 3.921 1.00 0.55 O ATOM 460 CB ILE A 31 -6.769 4.220 2.071 1.00 0.42 C ATOM 461 CG1 ILE A 31 -6.380 3.060 1.122 1.00 0.65 C ATOM 462 CG2 ILE A 31 -5.647 4.608 3.060 1.00 0.66 C ATOM 463 CD1 ILE A 31 -5.232 2.221 1.648 1.00 1.56 C ATOM 0 H ILE A 31 -8.959 4.348 0.979 1.00 0.49 H new ATOM 0 HA ILE A 31 -7.964 2.846 3.184 1.00 0.39 H new ATOM 0 HB ILE A 31 -6.928 5.105 1.455 1.00 0.42 H new ATOM 0 HG12 ILE A 31 -7.248 2.420 0.966 1.00 0.65 H new ATOM 0 HG13 ILE A 31 -6.107 3.470 0.150 1.00 0.65 H new ATOM 0 HG21 ILE A 31 -4.742 4.854 2.505 1.00 0.66 H new ATOM 0 HG22 ILE A 31 -5.960 5.473 3.645 1.00 0.66 H new ATOM 0 HG23 ILE A 31 -5.446 3.771 3.729 1.00 0.66 H new ATOM 0 HD11 ILE A 31 -5.008 1.425 0.938 1.00 1.56 H new ATOM 0 HD12 ILE A 31 -4.351 2.850 1.778 1.00 1.56 H new ATOM 0 HD13 ILE A 31 -5.510 1.784 2.607 1.00 1.56 H new ATOM 475 N TYR A 32 -7.816 4.329 5.180 1.00 0.39 N ATOM 476 CA TYR A 32 -7.816 5.052 6.442 1.00 0.45 C ATOM 477 C TYR A 32 -6.399 5.442 6.867 1.00 0.48 C ATOM 478 O TYR A 32 -6.221 6.497 7.469 1.00 0.71 O ATOM 479 CB TYR A 32 -8.476 4.188 7.526 1.00 0.51 C ATOM 480 CG TYR A 32 -9.935 4.512 7.763 1.00 0.67 C ATOM 481 CD1 TYR A 32 -10.887 4.270 6.756 1.00 1.82 C ATOM 482 CD2 TYR A 32 -10.325 5.157 8.953 1.00 2.27 C ATOM 483 CE1 TYR A 32 -12.224 4.664 6.943 1.00 1.82 C ATOM 484 CE2 TYR A 32 -11.658 5.558 9.135 1.00 2.53 C ATOM 485 CZ TYR A 32 -12.603 5.329 8.121 1.00 1.33 C ATOM 486 OH TYR A 32 -13.897 5.723 8.291 1.00 1.70 O ATOM 0 H TYR A 32 -7.372 3.414 5.258 1.00 0.39 H new ATOM 0 HA TYR A 32 -8.384 5.973 6.309 1.00 0.45 H new ATOM 0 HB2 TYR A 32 -8.388 3.139 7.244 1.00 0.51 H new ATOM 0 HB3 TYR A 32 -7.929 4.314 8.460 1.00 0.51 H new ATOM 0 HD1 TYR A 32 -10.591 3.782 5.839 1.00 1.82 H new ATOM 0 HD2 TYR A 32 -9.596 5.344 9.728 1.00 2.27 H new ATOM 0 HE1 TYR A 32 -12.960 4.455 6.181 1.00 1.82 H new ATOM 0 HE2 TYR A 32 -11.957 6.042 10.053 1.00 2.53 H new ATOM 0 HH TYR A 32 -13.992 6.167 9.159 1.00 1.70 H new ATOM 496 N SER A 33 -5.398 4.587 6.622 1.00 0.36 N ATOM 497 CA SER A 33 -4.036 4.817 7.090 1.00 0.36 C ATOM 498 C SER A 33 -3.043 4.293 6.065 1.00 0.41 C ATOM 499 O SER A 33 -3.318 3.289 5.407 1.00 0.45 O ATOM 500 CB SER A 33 -3.810 4.132 8.444 1.00 0.41 C ATOM 501 OG SER A 33 -2.577 4.528 9.014 1.00 0.76 O ATOM 0 H SER A 33 -5.514 3.721 6.095 1.00 0.36 H new ATOM 0 HA SER A 33 -3.885 5.889 7.217 1.00 0.36 H new ATOM 0 HB2 SER A 33 -4.625 4.382 9.123 1.00 0.41 H new ATOM 0 HB3 SER A 33 -3.824 3.050 8.315 1.00 0.41 H new ATOM 0 HG SER A 33 -2.457 4.080 9.877 1.00 0.76 H new ATOM 507 N ILE A 34 -1.901 4.980 5.985 1.00 0.55 N ATOM 508 CA ILE A 34 -0.790 4.729 5.081 1.00 0.74 C ATOM 509 C ILE A 34 0.151 3.635 5.600 1.00 0.64 C ATOM 510 O ILE A 34 0.113 3.277 6.774 1.00 0.59 O ATOM 511 CB ILE A 34 -0.011 6.032 4.842 1.00 1.07 C ATOM 512 CG1 ILE A 34 1.017 6.404 5.927 1.00 2.26 C ATOM 513 CG2 ILE A 34 -0.948 7.205 4.562 1.00 1.11 C ATOM 514 CD1 ILE A 34 0.463 6.433 7.350 1.00 3.55 C ATOM 0 H ILE A 34 -1.722 5.779 6.593 1.00 0.55 H new ATOM 0 HA ILE A 34 -1.207 4.370 4.140 1.00 0.74 H new ATOM 0 HB ILE A 34 0.584 5.820 3.954 1.00 1.07 H new ATOM 0 HG12 ILE A 34 1.841 5.691 5.887 1.00 2.26 H new ATOM 0 HG13 ILE A 34 1.432 7.384 5.694 1.00 2.26 H new ATOM 0 HG21 ILE A 34 -0.361 8.109 4.398 1.00 1.11 H new ATOM 0 HG22 ILE A 34 -1.542 6.992 3.673 1.00 1.11 H new ATOM 0 HG23 ILE A 34 -1.611 7.353 5.415 1.00 1.11 H new ATOM 0 HD11 ILE A 34 1.258 6.704 8.045 1.00 3.55 H new ATOM 0 HD12 ILE A 34 -0.340 7.167 7.413 1.00 3.55 H new ATOM 0 HD13 ILE A 34 0.075 5.448 7.609 1.00 3.55 H new ATOM 526 N LEU A 35 0.986 3.112 4.700 1.00 0.73 N ATOM 527 CA LEU A 35 1.960 2.073 4.938 1.00 0.71 C ATOM 528 C LEU A 35 3.346 2.610 5.278 1.00 0.70 C ATOM 529 O LEU A 35 3.848 3.511 4.621 1.00 0.90 O ATOM 530 CB LEU A 35 1.999 1.126 3.735 1.00 0.72 C ATOM 531 CG LEU A 35 2.279 1.679 2.315 1.00 0.71 C ATOM 532 CD1 LEU A 35 3.740 2.020 2.044 1.00 1.47 C ATOM 533 CD2 LEU A 35 1.795 0.681 1.250 1.00 1.68 C ATOM 0 H LEU A 35 0.992 3.429 3.731 1.00 0.73 H new ATOM 0 HA LEU A 35 1.644 1.521 5.823 1.00 0.71 H new ATOM 0 HB2 LEU A 35 2.757 0.371 3.943 1.00 0.72 H new ATOM 0 HB3 LEU A 35 1.039 0.612 3.698 1.00 0.72 H new ATOM 0 HG LEU A 35 1.725 2.616 2.260 1.00 0.71 H new ATOM 0 HD11 LEU A 35 3.843 2.400 1.027 1.00 1.47 H new ATOM 0 HD12 LEU A 35 4.073 2.780 2.750 1.00 1.47 H new ATOM 0 HD13 LEU A 35 4.350 1.124 2.160 1.00 1.47 H new ATOM 0 HD21 LEU A 35 1.998 1.082 0.257 1.00 1.68 H new ATOM 0 HD22 LEU A 35 2.320 -0.266 1.373 1.00 1.68 H new ATOM 0 HD23 LEU A 35 0.723 0.519 1.364 1.00 1.68 H new ATOM 545 N VAL A 36 3.978 2.029 6.300 1.00 0.59 N ATOM 546 CA VAL A 36 5.310 2.391 6.725 1.00 0.61 C ATOM 547 C VAL A 36 5.958 1.249 7.515 1.00 0.56 C ATOM 548 O VAL A 36 5.833 1.168 8.733 1.00 0.65 O ATOM 549 CB VAL A 36 5.263 3.734 7.481 1.00 0.74 C ATOM 550 CG1 VAL A 36 4.246 3.742 8.634 1.00 0.79 C ATOM 551 CG2 VAL A 36 6.658 4.133 7.973 1.00 0.86 C ATOM 0 H VAL A 36 3.562 1.283 6.857 1.00 0.59 H new ATOM 0 HA VAL A 36 5.955 2.543 5.859 1.00 0.61 H new ATOM 0 HB VAL A 36 4.918 4.480 6.765 1.00 0.74 H new ATOM 0 HG11 VAL A 36 4.261 4.715 9.126 1.00 0.79 H new ATOM 0 HG12 VAL A 36 3.248 3.550 8.240 1.00 0.79 H new ATOM 0 HG13 VAL A 36 4.507 2.967 9.355 1.00 0.79 H new ATOM 0 HG21 VAL A 36 6.599 5.084 8.503 1.00 0.86 H new ATOM 0 HG22 VAL A 36 7.040 3.365 8.646 1.00 0.86 H new ATOM 0 HG23 VAL A 36 7.329 4.234 7.120 1.00 0.86 H new ATOM 561 N ALA A 37 6.696 0.366 6.838 1.00 0.49 N ATOM 562 CA ALA A 37 7.637 -0.525 7.510 1.00 0.51 C ATOM 563 C ALA A 37 8.898 -0.675 6.655 1.00 0.54 C ATOM 564 O ALA A 37 9.435 -1.772 6.487 1.00 0.53 O ATOM 565 CB ALA A 37 6.949 -1.841 7.901 1.00 0.45 C ATOM 0 H ALA A 37 6.658 0.251 5.825 1.00 0.49 H new ATOM 0 HA ALA A 37 7.970 -0.098 8.456 1.00 0.51 H new ATOM 0 HB1 ALA A 37 7.666 -2.492 8.401 1.00 0.45 H new ATOM 0 HB2 ALA A 37 6.119 -1.631 8.575 1.00 0.45 H new ATOM 0 HB3 ALA A 37 6.573 -2.335 7.005 1.00 0.45 H new ATOM 571 N LEU A 38 9.400 0.466 6.162 1.00 0.64 N ATOM 572 CA LEU A 38 10.657 0.587 5.424 1.00 0.68 C ATOM 573 C LEU A 38 11.815 0.018 6.249 1.00 0.76 C ATOM 574 O LEU A 38 12.722 -0.587 5.686 1.00 0.80 O ATOM 575 CB LEU A 38 10.871 2.061 5.029 1.00 0.80 C ATOM 576 CG LEU A 38 11.942 2.307 3.944 1.00 0.83 C ATOM 577 CD1 LEU A 38 11.604 3.596 3.180 1.00 1.13 C ATOM 578 CD2 LEU A 38 13.360 2.460 4.513 1.00 1.52 C ATOM 0 H LEU A 38 8.922 1.360 6.272 1.00 0.64 H new ATOM 0 HA LEU A 38 10.615 0.001 4.506 1.00 0.68 H new ATOM 0 HB2 LEU A 38 9.922 2.467 4.678 1.00 0.80 H new ATOM 0 HB3 LEU A 38 11.147 2.622 5.922 1.00 0.80 H new ATOM 0 HG LEU A 38 11.931 1.430 3.296 1.00 0.83 H new ATOM 0 HD11 LEU A 38 12.358 3.773 2.413 1.00 1.13 H new ATOM 0 HD12 LEU A 38 10.626 3.495 2.710 1.00 1.13 H new ATOM 0 HD13 LEU A 38 11.588 4.437 3.874 1.00 1.13 H new ATOM 0 HD21 LEU A 38 14.063 2.630 3.697 1.00 1.52 H new ATOM 0 HD22 LEU A 38 13.388 3.307 5.199 1.00 1.52 H new ATOM 0 HD23 LEU A 38 13.638 1.551 5.047 1.00 1.52 H new ATOM 590 N MET A 39 11.731 0.166 7.581 1.00 0.85 N ATOM 591 CA MET A 39 12.606 -0.428 8.594 1.00 0.98 C ATOM 592 C MET A 39 13.150 -1.790 8.159 1.00 0.90 C ATOM 593 O MET A 39 14.346 -2.046 8.267 1.00 0.99 O ATOM 594 CB MET A 39 11.826 -0.504 9.923 1.00 1.13 C ATOM 595 CG MET A 39 12.704 -0.730 11.164 1.00 2.54 C ATOM 596 SD MET A 39 13.318 -2.413 11.447 1.00 4.34 S ATOM 597 CE MET A 39 14.267 -2.145 12.963 1.00 5.71 C ATOM 0 H MET A 39 11.002 0.742 8.002 1.00 0.85 H new ATOM 0 HA MET A 39 13.486 0.201 8.729 1.00 0.98 H new ATOM 0 HB2 MET A 39 11.265 0.421 10.054 1.00 1.13 H new ATOM 0 HB3 MET A 39 11.097 -1.312 9.857 1.00 1.13 H new ATOM 0 HG2 MET A 39 13.564 -0.063 11.096 1.00 2.54 H new ATOM 0 HG3 MET A 39 12.134 -0.426 12.042 1.00 2.54 H new ATOM 0 HE1 MET A 39 14.717 -3.085 13.281 1.00 5.71 H new ATOM 0 HE2 MET A 39 15.052 -1.412 12.776 1.00 5.71 H new ATOM 0 HE3 MET A 39 13.605 -1.776 13.746 1.00 5.71 H new ATOM 607 N ALA A 40 12.257 -2.648 7.658 1.00 0.81 N ATOM 608 CA ALA A 40 12.608 -3.952 7.116 1.00 0.81 C ATOM 609 C ALA A 40 12.317 -4.046 5.614 1.00 0.70 C ATOM 610 O ALA A 40 13.071 -4.683 4.884 1.00 0.90 O ATOM 611 CB ALA A 40 11.841 -5.003 7.907 1.00 0.96 C ATOM 0 H ALA A 40 11.258 -2.448 7.620 1.00 0.81 H new ATOM 0 HA ALA A 40 13.681 -4.118 7.217 1.00 0.81 H new ATOM 0 HB1 ALA A 40 12.083 -5.995 7.524 1.00 0.96 H new ATOM 0 HB2 ALA A 40 12.120 -4.942 8.959 1.00 0.96 H new ATOM 0 HB3 ALA A 40 10.770 -4.826 7.805 1.00 0.96 H new ATOM 617 N GLY A 41 11.209 -3.452 5.159 1.00 0.54 N ATOM 618 CA GLY A 41 10.773 -3.443 3.769 1.00 0.56 C ATOM 619 C GLY A 41 9.370 -4.030 3.640 1.00 0.55 C ATOM 620 O GLY A 41 9.132 -4.904 2.811 1.00 0.75 O ATOM 0 H GLY A 41 10.572 -2.947 5.775 1.00 0.54 H new ATOM 0 HA2 GLY A 41 10.782 -2.422 3.386 1.00 0.56 H new ATOM 0 HA3 GLY A 41 11.471 -4.018 3.160 1.00 0.56 H new ATOM 624 N LYS A 42 8.436 -3.559 4.472 1.00 0.42 N ATOM 625 CA LYS A 42 7.025 -3.914 4.411 1.00 0.41 C ATOM 626 C LYS A 42 6.179 -2.648 4.562 1.00 0.36 C ATOM 627 O LYS A 42 6.715 -1.541 4.663 1.00 0.41 O ATOM 628 CB LYS A 42 6.652 -4.980 5.454 1.00 0.57 C ATOM 629 CG LYS A 42 7.396 -6.316 5.277 1.00 0.72 C ATOM 630 CD LYS A 42 8.641 -6.486 6.159 1.00 1.89 C ATOM 631 CE LYS A 42 8.294 -6.260 7.640 1.00 1.98 C ATOM 632 NZ LYS A 42 9.172 -7.011 8.561 1.00 3.03 N ATOM 0 H LYS A 42 8.651 -2.904 5.224 1.00 0.42 H new ATOM 0 HA LYS A 42 6.819 -4.362 3.439 1.00 0.41 H new ATOM 0 HB2 LYS A 42 6.861 -4.588 6.450 1.00 0.57 H new ATOM 0 HB3 LYS A 42 5.579 -5.164 5.403 1.00 0.57 H new ATOM 0 HG2 LYS A 42 6.704 -7.131 5.490 1.00 0.72 H new ATOM 0 HG3 LYS A 42 7.693 -6.414 4.233 1.00 0.72 H new ATOM 0 HD2 LYS A 42 9.053 -7.486 6.026 1.00 1.89 H new ATOM 0 HD3 LYS A 42 9.411 -5.780 5.849 1.00 1.89 H new ATOM 0 HE2 LYS A 42 8.366 -5.196 7.866 1.00 1.98 H new ATOM 0 HE3 LYS A 42 7.259 -6.554 7.814 1.00 1.98 H new ATOM 0 HZ1 LYS A 42 9.197 -6.532 9.484 1.00 3.03 H new ATOM 0 HZ2 LYS A 42 8.804 -7.976 8.682 1.00 3.03 H new ATOM 0 HZ3 LYS A 42 10.133 -7.054 8.167 1.00 3.03 H new ATOM 646 N ALA A 43 4.856 -2.818 4.532 1.00 0.38 N ATOM 647 CA ALA A 43 3.875 -1.772 4.411 1.00 0.44 C ATOM 648 C ALA A 43 2.607 -2.192 5.168 1.00 0.45 C ATOM 649 O ALA A 43 2.155 -3.324 4.991 1.00 0.50 O ATOM 650 CB ALA A 43 3.606 -1.605 2.910 1.00 0.53 C ATOM 0 H ALA A 43 4.432 -3.743 4.596 1.00 0.38 H new ATOM 0 HA ALA A 43 4.214 -0.827 4.836 1.00 0.44 H new ATOM 0 HB1 ALA A 43 2.865 -0.820 2.758 1.00 0.53 H new ATOM 0 HB2 ALA A 43 4.532 -1.333 2.402 1.00 0.53 H new ATOM 0 HB3 ALA A 43 3.230 -2.543 2.501 1.00 0.53 H new ATOM 656 N GLU A 44 2.031 -1.310 6.002 1.00 0.43 N ATOM 657 CA GLU A 44 0.813 -1.633 6.750 1.00 0.38 C ATOM 658 C GLU A 44 -0.220 -0.554 6.484 1.00 0.38 C ATOM 659 O GLU A 44 -0.154 0.504 7.101 1.00 0.58 O ATOM 660 CB GLU A 44 1.108 -1.780 8.255 1.00 0.53 C ATOM 661 CG GLU A 44 -0.176 -2.025 9.074 1.00 2.19 C ATOM 662 CD GLU A 44 0.096 -2.244 10.559 1.00 2.23 C ATOM 663 OE1 GLU A 44 1.275 -2.433 10.920 1.00 1.77 O ATOM 664 OE2 GLU A 44 -0.891 -2.206 11.326 1.00 3.29 O ATOM 0 H GLU A 44 2.391 -0.371 6.172 1.00 0.43 H new ATOM 0 HA GLU A 44 0.420 -2.593 6.416 1.00 0.38 H new ATOM 0 HB2 GLU A 44 1.800 -2.608 8.410 1.00 0.53 H new ATOM 0 HB3 GLU A 44 1.603 -0.879 8.617 1.00 0.53 H new ATOM 0 HG2 GLU A 44 -0.844 -1.172 8.955 1.00 2.19 H new ATOM 0 HG3 GLU A 44 -0.695 -2.896 8.673 1.00 2.19 H new ATOM 671 N VAL A 45 -1.157 -0.808 5.572 1.00 0.45 N ATOM 672 CA VAL A 45 -2.199 0.150 5.246 1.00 0.46 C ATOM 673 C VAL A 45 -3.514 -0.293 5.865 1.00 0.43 C ATOM 674 O VAL A 45 -3.726 -1.476 6.134 1.00 0.64 O ATOM 675 CB VAL A 45 -2.327 0.370 3.723 1.00 0.57 C ATOM 676 CG1 VAL A 45 -1.680 1.684 3.287 1.00 2.46 C ATOM 677 CG2 VAL A 45 -1.717 -0.750 2.877 1.00 2.11 C ATOM 0 H VAL A 45 -1.211 -1.679 5.044 1.00 0.45 H new ATOM 0 HA VAL A 45 -1.923 1.116 5.669 1.00 0.46 H new ATOM 0 HB VAL A 45 -3.403 0.387 3.547 1.00 0.57 H new ATOM 0 HG11 VAL A 45 -1.790 1.804 2.209 1.00 2.46 H new ATOM 0 HG12 VAL A 45 -2.167 2.516 3.796 1.00 2.46 H new ATOM 0 HG13 VAL A 45 -0.621 1.671 3.544 1.00 2.46 H new ATOM 0 HG21 VAL A 45 -1.848 -0.520 1.820 1.00 2.11 H new ATOM 0 HG22 VAL A 45 -0.654 -0.837 3.100 1.00 2.11 H new ATOM 0 HG23 VAL A 45 -2.214 -1.692 3.108 1.00 2.11 H new ATOM 687 N ARG A 46 -4.396 0.678 6.111 1.00 0.36 N ATOM 688 CA ARG A 46 -5.724 0.413 6.625 1.00 0.36 C ATOM 689 C ARG A 46 -6.742 0.743 5.545 1.00 0.32 C ATOM 690 O ARG A 46 -6.649 1.807 4.943 1.00 0.42 O ATOM 691 CB ARG A 46 -5.965 1.187 7.921 1.00 0.48 C ATOM 692 CG ARG A 46 -7.166 0.565 8.631 1.00 0.48 C ATOM 693 CD ARG A 46 -7.501 1.299 9.931 1.00 0.78 C ATOM 694 NE ARG A 46 -8.510 0.545 10.686 1.00 1.76 N ATOM 695 CZ ARG A 46 -8.992 0.860 11.894 1.00 2.27 C ATOM 696 NH1 ARG A 46 -8.544 1.943 12.538 1.00 1.92 N ATOM 697 NH2 ARG A 46 -9.913 0.066 12.443 1.00 3.72 N ATOM 0 H ARG A 46 -4.201 1.667 5.957 1.00 0.36 H new ATOM 0 HA ARG A 46 -5.828 -0.642 6.878 1.00 0.36 H new ATOM 0 HB2 ARG A 46 -5.082 1.145 8.559 1.00 0.48 H new ATOM 0 HB3 ARG A 46 -6.153 2.239 7.706 1.00 0.48 H new ATOM 0 HG2 ARG A 46 -8.031 0.587 7.968 1.00 0.48 H new ATOM 0 HG3 ARG A 46 -6.957 -0.482 8.849 1.00 0.48 H new ATOM 0 HD2 ARG A 46 -6.600 1.421 10.532 1.00 0.78 H new ATOM 0 HD3 ARG A 46 -7.873 2.299 9.708 1.00 0.78 H new ATOM 0 HE ARG A 46 -8.879 -0.299 10.248 1.00 1.76 H new ATOM 0 HH11 ARG A 46 -7.832 2.533 12.109 1.00 1.92 H new ATOM 0 HH12 ARG A 46 -8.915 2.179 13.459 1.00 1.92 H new ATOM 0 HH21 ARG A 46 -10.236 -0.762 11.943 1.00 3.72 H new ATOM 0 HH22 ARG A 46 -10.294 0.287 13.363 1.00 3.72 H new ATOM 711 N TYR A 47 -7.691 -0.164 5.318 1.00 0.42 N ATOM 712 CA TYR A 47 -8.685 -0.128 4.263 1.00 0.46 C ATOM 713 C TYR A 47 -10.046 -0.543 4.818 1.00 0.46 C ATOM 714 O TYR A 47 -10.225 -0.681 6.029 1.00 0.54 O ATOM 715 CB TYR A 47 -8.240 -1.053 3.119 1.00 0.52 C ATOM 716 CG TYR A 47 -8.504 -2.543 3.313 1.00 0.54 C ATOM 717 CD1 TYR A 47 -7.869 -3.261 4.345 1.00 1.85 C ATOM 718 CD2 TYR A 47 -9.333 -3.236 2.410 1.00 1.66 C ATOM 719 CE1 TYR A 47 -8.088 -4.644 4.482 1.00 1.98 C ATOM 720 CE2 TYR A 47 -9.360 -4.638 2.418 1.00 1.62 C ATOM 721 CZ TYR A 47 -8.777 -5.344 3.479 1.00 0.80 C ATOM 722 OH TYR A 47 -8.882 -6.701 3.523 1.00 1.02 O ATOM 0 H TYR A 47 -7.786 -0.992 5.906 1.00 0.42 H new ATOM 0 HA TYR A 47 -8.780 0.885 3.872 1.00 0.46 H new ATOM 0 HB2 TYR A 47 -8.741 -0.733 2.206 1.00 0.52 H new ATOM 0 HB3 TYR A 47 -7.171 -0.913 2.962 1.00 0.52 H new ATOM 0 HD1 TYR A 47 -7.212 -2.749 5.033 1.00 1.85 H new ATOM 0 HD2 TYR A 47 -9.948 -2.688 1.711 1.00 1.66 H new ATOM 0 HE1 TYR A 47 -7.727 -5.166 5.356 1.00 1.98 H new ATOM 0 HE2 TYR A 47 -9.830 -5.174 1.607 1.00 1.62 H new ATOM 0 HH TYR A 47 -9.393 -7.015 2.748 1.00 1.02 H new ATOM 732 N ASN A 48 -11.004 -0.783 3.926 1.00 0.48 N ATOM 733 CA ASN A 48 -12.339 -1.238 4.284 1.00 0.57 C ATOM 734 C ASN A 48 -12.890 -2.058 3.119 1.00 0.58 C ATOM 735 O ASN A 48 -13.276 -1.453 2.119 1.00 0.64 O ATOM 736 CB ASN A 48 -13.232 -0.022 4.561 1.00 0.72 C ATOM 737 CG ASN A 48 -14.687 -0.440 4.749 1.00 1.22 C ATOM 738 OD1 ASN A 48 -14.968 -1.538 5.216 1.00 1.87 O ATOM 739 ND2 ASN A 48 -15.627 0.420 4.363 1.00 1.70 N ATOM 0 H ASN A 48 -10.870 -0.664 2.922 1.00 0.48 H new ATOM 0 HA ASN A 48 -12.311 -1.855 5.182 1.00 0.57 H new ATOM 0 HB2 ASN A 48 -12.881 0.495 5.454 1.00 0.72 H new ATOM 0 HB3 ASN A 48 -13.157 0.684 3.734 1.00 0.72 H new ATOM 0 HD21 ASN A 48 -16.612 0.172 4.452 1.00 1.70 H new ATOM 0 HD22 ASN A 48 -15.362 1.327 3.978 1.00 1.70 H new ATOM 746 N PRO A 49 -12.909 -3.401 3.193 1.00 0.59 N ATOM 747 CA PRO A 49 -13.334 -4.250 2.089 1.00 0.63 C ATOM 748 C PRO A 49 -14.853 -4.184 1.908 1.00 0.69 C ATOM 749 O PRO A 49 -15.578 -5.127 2.211 1.00 0.83 O ATOM 750 CB PRO A 49 -12.833 -5.654 2.428 1.00 0.71 C ATOM 751 CG PRO A 49 -12.803 -5.660 3.955 1.00 0.70 C ATOM 752 CD PRO A 49 -12.465 -4.212 4.318 1.00 0.63 C ATOM 0 HA PRO A 49 -12.921 -3.926 1.134 1.00 0.63 H new ATOM 0 HB2 PRO A 49 -13.498 -6.423 2.036 1.00 0.71 H new ATOM 0 HB3 PRO A 49 -11.846 -5.841 2.006 1.00 0.71 H new ATOM 0 HG2 PRO A 49 -13.763 -5.964 4.373 1.00 0.70 H new ATOM 0 HG3 PRO A 49 -12.055 -6.354 4.338 1.00 0.70 H new ATOM 0 HD2 PRO A 49 -12.968 -3.913 5.237 1.00 0.63 H new ATOM 0 HD3 PRO A 49 -11.395 -4.092 4.487 1.00 0.63 H new ATOM 760 N ALA A 50 -15.315 -3.050 1.390 1.00 0.64 N ATOM 761 CA ALA A 50 -16.692 -2.782 1.033 1.00 0.75 C ATOM 762 C ALA A 50 -16.671 -2.101 -0.335 1.00 0.70 C ATOM 763 O ALA A 50 -17.103 -2.679 -1.330 1.00 0.99 O ATOM 764 CB ALA A 50 -17.334 -1.913 2.126 1.00 0.99 C ATOM 0 H ALA A 50 -14.702 -2.257 1.201 1.00 0.64 H new ATOM 0 HA ALA A 50 -17.293 -3.689 0.964 1.00 0.75 H new ATOM 0 HB1 ALA A 50 -18.372 -1.707 1.864 1.00 0.99 H new ATOM 0 HB2 ALA A 50 -17.298 -2.441 3.079 1.00 0.99 H new ATOM 0 HB3 ALA A 50 -16.788 -0.974 2.212 1.00 0.99 H new ATOM 770 N VAL A 51 -16.113 -0.889 -0.380 1.00 0.63 N ATOM 771 CA VAL A 51 -16.096 -0.037 -1.561 1.00 0.76 C ATOM 772 C VAL A 51 -14.778 -0.199 -2.321 1.00 0.66 C ATOM 773 O VAL A 51 -14.782 -0.486 -3.514 1.00 0.96 O ATOM 774 CB VAL A 51 -16.351 1.417 -1.124 1.00 0.94 C ATOM 775 CG1 VAL A 51 -16.258 2.386 -2.307 1.00 1.14 C ATOM 776 CG2 VAL A 51 -17.745 1.539 -0.490 1.00 1.28 C ATOM 0 H VAL A 51 -15.651 -0.467 0.425 1.00 0.63 H new ATOM 0 HA VAL A 51 -16.886 -0.330 -2.252 1.00 0.76 H new ATOM 0 HB VAL A 51 -15.582 1.680 -0.398 1.00 0.94 H new ATOM 0 HG11 VAL A 51 -16.444 3.403 -1.960 1.00 1.14 H new ATOM 0 HG12 VAL A 51 -15.262 2.329 -2.747 1.00 1.14 H new ATOM 0 HG13 VAL A 51 -17.002 2.117 -3.057 1.00 1.14 H new ATOM 0 HG21 VAL A 51 -17.916 2.571 -0.184 1.00 1.28 H new ATOM 0 HG22 VAL A 51 -18.502 1.245 -1.217 1.00 1.28 H new ATOM 0 HG23 VAL A 51 -17.807 0.887 0.381 1.00 1.28 H new ATOM 786 N ILE A 52 -13.649 -0.005 -1.628 1.00 0.44 N ATOM 787 CA ILE A 52 -12.323 0.071 -2.243 1.00 0.54 C ATOM 788 C ILE A 52 -11.985 -1.159 -3.084 1.00 0.67 C ATOM 789 O ILE A 52 -11.298 -1.038 -4.090 1.00 1.15 O ATOM 790 CB ILE A 52 -11.263 0.296 -1.156 1.00 0.67 C ATOM 791 CG1 ILE A 52 -9.908 0.652 -1.783 1.00 0.84 C ATOM 792 CG2 ILE A 52 -11.127 -0.919 -0.230 1.00 1.03 C ATOM 793 CD1 ILE A 52 -8.927 1.152 -0.724 1.00 1.28 C ATOM 0 H ILE A 52 -13.633 0.104 -0.614 1.00 0.44 H new ATOM 0 HA ILE A 52 -12.330 0.916 -2.931 1.00 0.54 H new ATOM 0 HB ILE A 52 -11.597 1.136 -0.547 1.00 0.67 H new ATOM 0 HG12 ILE A 52 -9.494 -0.224 -2.283 1.00 0.84 H new ATOM 0 HG13 ILE A 52 -10.047 1.418 -2.546 1.00 0.84 H new ATOM 0 HG21 ILE A 52 -10.367 -0.718 0.525 1.00 1.03 H new ATOM 0 HG22 ILE A 52 -12.082 -1.112 0.259 1.00 1.03 H new ATOM 0 HG23 ILE A 52 -10.836 -1.791 -0.815 1.00 1.03 H new ATOM 0 HD11 ILE A 52 -7.976 1.397 -1.196 1.00 1.28 H new ATOM 0 HD12 ILE A 52 -9.333 2.042 -0.243 1.00 1.28 H new ATOM 0 HD13 ILE A 52 -8.771 0.374 0.024 1.00 1.28 H new ATOM 805 N GLN A 53 -12.456 -2.326 -2.632 1.00 0.65 N ATOM 806 CA GLN A 53 -12.250 -3.647 -3.197 1.00 0.81 C ATOM 807 C GLN A 53 -10.816 -4.175 -2.995 1.00 0.78 C ATOM 808 O GLN A 53 -9.867 -3.606 -3.536 1.00 0.71 O ATOM 809 CB GLN A 53 -12.715 -3.724 -4.662 1.00 0.89 C ATOM 810 CG GLN A 53 -14.226 -3.955 -4.778 1.00 1.35 C ATOM 811 CD GLN A 53 -14.611 -5.341 -4.268 1.00 1.40 C ATOM 812 OE1 GLN A 53 -14.117 -6.348 -4.766 1.00 2.18 O ATOM 813 NE2 GLN A 53 -15.449 -5.417 -3.238 1.00 2.18 N ATOM 0 H GLN A 53 -13.037 -2.365 -1.794 1.00 0.65 H new ATOM 0 HA GLN A 53 -12.888 -4.326 -2.631 1.00 0.81 H new ATOM 0 HB2 GLN A 53 -12.450 -2.799 -5.175 1.00 0.89 H new ATOM 0 HB3 GLN A 53 -12.186 -4.532 -5.168 1.00 0.89 H new ATOM 0 HG2 GLN A 53 -14.758 -3.194 -4.208 1.00 1.35 H new ATOM 0 HG3 GLN A 53 -14.535 -3.848 -5.818 1.00 1.35 H new ATOM 0 HE21 GLN A 53 -15.847 -4.566 -2.841 1.00 2.18 H new ATOM 0 HE22 GLN A 53 -15.693 -6.326 -2.845 1.00 2.18 H new ATOM 822 N PRO A 54 -10.630 -5.294 -2.264 1.00 0.92 N ATOM 823 CA PRO A 54 -9.325 -5.920 -2.106 1.00 1.04 C ATOM 824 C PRO A 54 -8.550 -6.130 -3.418 1.00 1.08 C ATOM 825 O PRO A 54 -7.362 -5.803 -3.440 1.00 1.11 O ATOM 826 CB PRO A 54 -9.526 -7.212 -1.304 1.00 1.27 C ATOM 827 CG PRO A 54 -11.036 -7.441 -1.276 1.00 1.32 C ATOM 828 CD PRO A 54 -11.651 -6.074 -1.569 1.00 1.05 C ATOM 0 HA PRO A 54 -8.674 -5.237 -1.560 1.00 1.04 H new ATOM 0 HB2 PRO A 54 -9.010 -8.050 -1.773 1.00 1.27 H new ATOM 0 HB3 PRO A 54 -9.125 -7.115 -0.295 1.00 1.27 H new ATOM 0 HG2 PRO A 54 -11.337 -8.177 -2.022 1.00 1.32 H new ATOM 0 HG3 PRO A 54 -11.360 -7.819 -0.306 1.00 1.32 H new ATOM 0 HD2 PRO A 54 -12.545 -6.176 -2.184 1.00 1.05 H new ATOM 0 HD3 PRO A 54 -11.954 -5.580 -0.646 1.00 1.05 H new ATOM 836 N PRO A 55 -9.145 -6.644 -4.515 1.00 1.12 N ATOM 837 CA PRO A 55 -8.419 -6.754 -5.775 1.00 1.18 C ATOM 838 C PRO A 55 -7.905 -5.396 -6.269 1.00 0.99 C ATOM 839 O PRO A 55 -6.822 -5.330 -6.848 1.00 1.10 O ATOM 840 CB PRO A 55 -9.376 -7.430 -6.768 1.00 1.31 C ATOM 841 CG PRO A 55 -10.761 -7.178 -6.179 1.00 1.25 C ATOM 842 CD PRO A 55 -10.492 -7.186 -4.676 1.00 1.18 C ATOM 0 HA PRO A 55 -7.516 -7.352 -5.655 1.00 1.18 H new ATOM 0 HB2 PRO A 55 -9.283 -7.002 -7.766 1.00 1.31 H new ATOM 0 HB3 PRO A 55 -9.169 -8.496 -6.858 1.00 1.31 H new ATOM 0 HG2 PRO A 55 -11.175 -6.226 -6.511 1.00 1.25 H new ATOM 0 HG3 PRO A 55 -11.471 -7.953 -6.468 1.00 1.25 H new ATOM 0 HD2 PRO A 55 -11.225 -6.580 -4.143 1.00 1.18 H new ATOM 0 HD3 PRO A 55 -10.559 -8.196 -4.271 1.00 1.18 H new ATOM 850 N MET A 56 -8.655 -4.313 -6.032 1.00 0.81 N ATOM 851 CA MET A 56 -8.285 -2.999 -6.527 1.00 0.64 C ATOM 852 C MET A 56 -7.098 -2.425 -5.753 1.00 0.64 C ATOM 853 O MET A 56 -6.201 -1.876 -6.383 1.00 0.63 O ATOM 854 CB MET A 56 -9.490 -2.051 -6.501 1.00 0.61 C ATOM 855 CG MET A 56 -10.176 -1.940 -7.864 1.00 1.29 C ATOM 856 SD MET A 56 -11.541 -0.750 -7.884 1.00 1.97 S ATOM 857 CE MET A 56 -11.891 -0.699 -9.655 1.00 2.69 C ATOM 0 H MET A 56 -9.524 -4.330 -5.497 1.00 0.81 H new ATOM 0 HA MET A 56 -7.968 -3.106 -7.564 1.00 0.64 H new ATOM 0 HB2 MET A 56 -10.210 -2.404 -5.763 1.00 0.61 H new ATOM 0 HB3 MET A 56 -9.163 -1.062 -6.180 1.00 0.61 H new ATOM 0 HG2 MET A 56 -9.438 -1.649 -8.612 1.00 1.29 H new ATOM 0 HG3 MET A 56 -10.554 -2.921 -8.154 1.00 1.29 H new ATOM 0 HE1 MET A 56 -12.713 -0.008 -9.844 1.00 2.69 H new ATOM 0 HE2 MET A 56 -11.004 -0.363 -10.192 1.00 2.69 H new ATOM 0 HE3 MET A 56 -12.168 -1.695 -10.000 1.00 2.69 H new ATOM 867 N ILE A 57 -7.070 -2.537 -4.417 1.00 0.72 N ATOM 868 CA ILE A 57 -5.931 -2.104 -3.601 1.00 0.85 C ATOM 869 C ILE A 57 -4.591 -2.462 -4.264 1.00 0.76 C ATOM 870 O ILE A 57 -3.847 -1.568 -4.663 1.00 0.79 O ATOM 871 CB ILE A 57 -6.060 -2.655 -2.165 1.00 1.23 C ATOM 872 CG1 ILE A 57 -7.262 -1.968 -1.499 1.00 1.03 C ATOM 873 CG2 ILE A 57 -4.799 -2.411 -1.321 1.00 2.16 C ATOM 874 CD1 ILE A 57 -7.420 -2.289 -0.013 1.00 1.32 C ATOM 0 H ILE A 57 -7.838 -2.931 -3.873 1.00 0.72 H new ATOM 0 HA ILE A 57 -5.945 -1.016 -3.531 1.00 0.85 H new ATOM 0 HB ILE A 57 -6.196 -3.735 -2.224 1.00 1.23 H new ATOM 0 HG12 ILE A 57 -7.162 -0.889 -1.618 1.00 1.03 H new ATOM 0 HG13 ILE A 57 -8.171 -2.263 -2.022 1.00 1.03 H new ATOM 0 HG21 ILE A 57 -4.946 -2.819 -0.321 1.00 2.16 H new ATOM 0 HG22 ILE A 57 -3.946 -2.901 -1.791 1.00 2.16 H new ATOM 0 HG23 ILE A 57 -4.609 -1.340 -1.252 1.00 2.16 H new ATOM 0 HD11 ILE A 57 -8.291 -1.765 0.382 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -7.554 -3.363 0.115 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -6.528 -1.968 0.525 1.00 1.32 H new ATOM 886 N ALA A 58 -4.278 -3.757 -4.402 1.00 0.73 N ATOM 887 CA ALA A 58 -3.078 -4.210 -5.093 1.00 0.73 C ATOM 888 C ALA A 58 -2.854 -3.444 -6.392 1.00 0.62 C ATOM 889 O ALA A 58 -1.790 -2.861 -6.568 1.00 0.63 O ATOM 890 CB ALA A 58 -3.138 -5.713 -5.363 1.00 0.85 C ATOM 0 H ALA A 58 -4.854 -4.515 -4.035 1.00 0.73 H new ATOM 0 HA ALA A 58 -2.231 -4.009 -4.437 1.00 0.73 H new ATOM 0 HB1 ALA A 58 -2.231 -6.026 -5.880 1.00 0.85 H new ATOM 0 HB2 ALA A 58 -3.221 -6.249 -4.418 1.00 0.85 H new ATOM 0 HB3 ALA A 58 -4.005 -5.937 -5.984 1.00 0.85 H new ATOM 896 N GLU A 59 -3.833 -3.426 -7.298 1.00 0.58 N ATOM 897 CA GLU A 59 -3.706 -2.696 -8.545 1.00 0.54 C ATOM 898 C GLU A 59 -3.303 -1.234 -8.332 1.00 0.52 C ATOM 899 O GLU A 59 -2.312 -0.797 -8.911 1.00 0.56 O ATOM 900 CB GLU A 59 -4.992 -2.826 -9.346 1.00 0.58 C ATOM 901 CG GLU A 59 -5.140 -4.253 -9.898 1.00 0.75 C ATOM 902 CD GLU A 59 -6.193 -4.339 -10.994 1.00 1.88 C ATOM 903 OE1 GLU A 59 -7.319 -3.855 -10.748 1.00 3.06 O ATOM 904 OE2 GLU A 59 -5.843 -4.901 -12.053 1.00 2.45 O ATOM 0 H GLU A 59 -4.722 -3.912 -7.184 1.00 0.58 H new ATOM 0 HA GLU A 59 -2.892 -3.140 -9.118 1.00 0.54 H new ATOM 0 HB2 GLU A 59 -5.847 -2.583 -8.715 1.00 0.58 H new ATOM 0 HB3 GLU A 59 -4.989 -2.110 -10.168 1.00 0.58 H new ATOM 0 HG2 GLU A 59 -4.181 -4.590 -10.291 1.00 0.75 H new ATOM 0 HG3 GLU A 59 -5.407 -4.929 -9.086 1.00 0.75 H new ATOM 911 N PHE A 60 -4.015 -0.500 -7.474 1.00 0.55 N ATOM 912 CA PHE A 60 -3.664 0.865 -7.104 1.00 0.61 C ATOM 913 C PHE A 60 -2.187 0.999 -6.733 1.00 0.68 C ATOM 914 O PHE A 60 -1.541 1.987 -7.074 1.00 0.84 O ATOM 915 CB PHE A 60 -4.544 1.353 -5.942 1.00 0.66 C ATOM 916 CG PHE A 60 -5.188 2.686 -6.238 1.00 0.77 C ATOM 917 CD1 PHE A 60 -4.386 3.834 -6.349 1.00 1.46 C ATOM 918 CD2 PHE A 60 -6.572 2.772 -6.463 1.00 2.30 C ATOM 919 CE1 PHE A 60 -4.968 5.071 -6.668 1.00 1.45 C ATOM 920 CE2 PHE A 60 -7.152 4.008 -6.790 1.00 2.42 C ATOM 921 CZ PHE A 60 -6.353 5.160 -6.892 1.00 1.05 C ATOM 0 H PHE A 60 -4.858 -0.843 -7.015 1.00 0.55 H new ATOM 0 HA PHE A 60 -3.843 1.490 -7.979 1.00 0.61 H new ATOM 0 HB2 PHE A 60 -5.319 0.614 -5.739 1.00 0.66 H new ATOM 0 HB3 PHE A 60 -3.939 1.436 -5.039 1.00 0.66 H new ATOM 0 HD1 PHE A 60 -3.320 3.765 -6.189 1.00 1.46 H new ATOM 0 HD2 PHE A 60 -7.189 1.889 -6.385 1.00 2.30 H new ATOM 0 HE1 PHE A 60 -4.351 5.955 -6.741 1.00 1.45 H new ATOM 0 HE2 PHE A 60 -8.216 4.074 -6.964 1.00 2.42 H new ATOM 0 HZ PHE A 60 -6.802 6.110 -7.142 1.00 1.05 H new ATOM 931 N ILE A 61 -1.643 0.008 -6.025 1.00 0.63 N ATOM 932 CA ILE A 61 -0.214 0.001 -5.722 1.00 0.66 C ATOM 933 C ILE A 61 0.582 -0.294 -7.002 1.00 0.59 C ATOM 934 O ILE A 61 1.584 0.364 -7.289 1.00 0.62 O ATOM 935 CB ILE A 61 0.102 -0.950 -4.545 1.00 0.70 C ATOM 936 CG1 ILE A 61 -0.267 -0.347 -3.173 1.00 0.73 C ATOM 937 CG2 ILE A 61 1.598 -1.257 -4.487 1.00 0.87 C ATOM 938 CD1 ILE A 61 -1.706 -0.644 -2.769 1.00 1.40 C ATOM 0 H ILE A 61 -2.162 -0.789 -5.656 1.00 0.63 H new ATOM 0 HA ILE A 61 0.100 0.987 -5.379 1.00 0.66 H new ATOM 0 HB ILE A 61 -0.493 -1.845 -4.729 1.00 0.70 H new ATOM 0 HG12 ILE A 61 0.408 -0.742 -2.414 1.00 0.73 H new ATOM 0 HG13 ILE A 61 -0.117 0.732 -3.203 1.00 0.73 H new ATOM 0 HG21 ILE A 61 1.800 -1.928 -3.652 1.00 0.87 H new ATOM 0 HG22 ILE A 61 1.908 -1.733 -5.417 1.00 0.87 H new ATOM 0 HG23 ILE A 61 2.155 -0.330 -4.350 1.00 0.87 H new ATOM 0 HD11 ILE A 61 -1.911 -0.196 -1.796 1.00 1.40 H new ATOM 0 HD12 ILE A 61 -2.386 -0.226 -3.511 1.00 1.40 H new ATOM 0 HD13 ILE A 61 -1.852 -1.723 -2.710 1.00 1.40 H new ATOM 950 N ARG A 62 0.161 -1.299 -7.771 1.00 0.54 N ATOM 951 CA ARG A 62 0.855 -1.726 -8.974 1.00 0.53 C ATOM 952 C ARG A 62 0.889 -0.644 -10.054 1.00 0.54 C ATOM 953 O ARG A 62 1.715 -0.765 -10.954 1.00 0.60 O ATOM 954 CB ARG A 62 0.207 -2.977 -9.583 1.00 0.58 C ATOM 955 CG ARG A 62 0.253 -4.227 -8.696 1.00 0.67 C ATOM 956 CD ARG A 62 -0.786 -5.261 -9.171 1.00 1.25 C ATOM 957 NE ARG A 62 -0.167 -6.427 -9.819 1.00 1.39 N ATOM 958 CZ ARG A 62 -0.856 -7.410 -10.424 1.00 2.07 C ATOM 959 NH1 ARG A 62 -2.187 -7.324 -10.544 1.00 2.78 N ATOM 960 NH2 ARG A 62 -0.207 -8.479 -10.900 1.00 2.41 N ATOM 0 H ARG A 62 -0.679 -1.841 -7.570 1.00 0.54 H new ATOM 0 HA ARG A 62 1.874 -1.943 -8.654 1.00 0.53 H new ATOM 0 HB2 ARG A 62 -0.834 -2.752 -9.815 1.00 0.58 H new ATOM 0 HB3 ARG A 62 0.703 -3.201 -10.527 1.00 0.58 H new ATOM 0 HG2 ARG A 62 1.251 -4.665 -8.725 1.00 0.67 H new ATOM 0 HG3 ARG A 62 0.055 -3.953 -7.660 1.00 0.67 H new ATOM 0 HD2 ARG A 62 -1.377 -5.595 -8.318 1.00 1.25 H new ATOM 0 HD3 ARG A 62 -1.474 -4.785 -9.869 1.00 1.25 H new ATOM 0 HE ARG A 62 0.851 -6.494 -9.809 1.00 1.39 H new ATOM 0 HH11 ARG A 62 -2.681 -6.511 -10.176 1.00 2.78 H new ATOM 0 HH12 ARG A 62 -2.707 -8.072 -11.004 1.00 2.78 H new ATOM 0 HH21 ARG A 62 0.806 -8.545 -10.803 1.00 2.41 H new ATOM 0 HH22 ARG A 62 -0.725 -9.227 -11.360 1.00 2.41 H new ATOM 974 N GLU A 63 0.042 0.390 -9.986 1.00 0.56 N ATOM 975 CA GLU A 63 0.072 1.548 -10.883 1.00 0.63 C ATOM 976 C GLU A 63 1.495 2.064 -11.162 1.00 0.65 C ATOM 977 O GLU A 63 1.759 2.597 -12.237 1.00 0.77 O ATOM 978 CB GLU A 63 -0.792 2.677 -10.299 1.00 0.72 C ATOM 979 CG GLU A 63 -2.297 2.385 -10.384 1.00 2.20 C ATOM 980 CD GLU A 63 -2.823 2.519 -11.808 1.00 3.28 C ATOM 981 OE1 GLU A 63 -3.109 3.671 -12.198 1.00 4.15 O ATOM 982 OE2 GLU A 63 -2.910 1.473 -12.485 1.00 4.15 O ATOM 0 H GLU A 63 -0.700 0.445 -9.289 1.00 0.56 H new ATOM 0 HA GLU A 63 -0.332 1.218 -11.840 1.00 0.63 H new ATOM 0 HB2 GLU A 63 -0.517 2.836 -9.256 1.00 0.72 H new ATOM 0 HB3 GLU A 63 -0.577 3.604 -10.830 1.00 0.72 H new ATOM 0 HG2 GLU A 63 -2.492 1.377 -10.018 1.00 2.20 H new ATOM 0 HG3 GLU A 63 -2.837 3.071 -9.732 1.00 2.20 H new ATOM 989 N LEU A 64 2.427 1.899 -10.216 1.00 0.59 N ATOM 990 CA LEU A 64 3.803 2.358 -10.388 1.00 0.62 C ATOM 991 C LEU A 64 4.623 1.370 -11.228 1.00 0.68 C ATOM 992 O LEU A 64 5.582 1.767 -11.882 1.00 1.01 O ATOM 993 CB LEU A 64 4.490 2.479 -9.027 1.00 0.74 C ATOM 994 CG LEU A 64 3.663 3.151 -7.929 1.00 0.75 C ATOM 995 CD1 LEU A 64 4.443 2.993 -6.630 1.00 1.01 C ATOM 996 CD2 LEU A 64 3.400 4.635 -8.197 1.00 1.04 C ATOM 0 H LEU A 64 2.248 1.447 -9.319 1.00 0.59 H new ATOM 0 HA LEU A 64 3.757 3.323 -10.893 1.00 0.62 H new ATOM 0 HB2 LEU A 64 4.767 1.480 -8.689 1.00 0.74 H new ATOM 0 HB3 LEU A 64 5.416 3.040 -9.155 1.00 0.74 H new ATOM 0 HG LEU A 64 2.683 2.676 -7.884 1.00 0.75 H new ATOM 0 HD11 LEU A 64 3.890 3.459 -5.815 1.00 1.01 H new ATOM 0 HD12 LEU A 64 4.582 1.933 -6.415 1.00 1.01 H new ATOM 0 HD13 LEU A 64 5.416 3.473 -6.729 1.00 1.01 H new ATOM 0 HD21 LEU A 64 2.809 5.053 -7.382 1.00 1.04 H new ATOM 0 HD22 LEU A 64 4.349 5.166 -8.266 1.00 1.04 H new ATOM 0 HD23 LEU A 64 2.854 4.744 -9.134 1.00 1.04 H new ATOM 1008 N GLY A 65 4.272 0.081 -11.173 1.00 0.57 N ATOM 1009 CA GLY A 65 4.909 -0.981 -11.936 1.00 0.68 C ATOM 1010 C GLY A 65 6.062 -1.616 -11.160 1.00 0.76 C ATOM 1011 O GLY A 65 7.226 -1.376 -11.473 1.00 1.37 O ATOM 0 H GLY A 65 3.515 -0.255 -10.578 1.00 0.57 H new ATOM 0 HA2 GLY A 65 4.172 -1.745 -12.183 1.00 0.68 H new ATOM 0 HA3 GLY A 65 5.281 -0.580 -12.879 1.00 0.68 H new ATOM 1015 N PHE A 66 5.758 -2.443 -10.152 1.00 1.18 N ATOM 1016 CA PHE A 66 6.752 -3.187 -9.396 1.00 1.50 C ATOM 1017 C PHE A 66 6.114 -4.434 -8.766 1.00 1.16 C ATOM 1018 O PHE A 66 4.930 -4.706 -8.976 1.00 1.16 O ATOM 1019 CB PHE A 66 7.375 -2.262 -8.348 1.00 1.86 C ATOM 1020 CG PHE A 66 6.500 -2.019 -7.140 1.00 1.99 C ATOM 1021 CD1 PHE A 66 5.436 -1.104 -7.207 1.00 3.08 C ATOM 1022 CD2 PHE A 66 6.646 -2.831 -6.004 1.00 3.60 C ATOM 1023 CE1 PHE A 66 4.589 -0.926 -6.101 1.00 5.06 C ATOM 1024 CE2 PHE A 66 5.705 -2.757 -4.970 1.00 5.59 C ATOM 1025 CZ PHE A 66 4.745 -1.739 -4.966 1.00 6.16 C ATOM 0 H PHE A 66 4.801 -2.611 -9.841 1.00 1.18 H new ATOM 0 HA PHE A 66 7.546 -3.536 -10.056 1.00 1.50 H new ATOM 0 HB2 PHE A 66 8.321 -2.691 -8.017 1.00 1.86 H new ATOM 0 HB3 PHE A 66 7.605 -1.304 -8.815 1.00 1.86 H new ATOM 0 HD1 PHE A 66 5.269 -0.537 -8.111 1.00 3.08 H new ATOM 0 HD2 PHE A 66 7.482 -3.511 -5.928 1.00 3.60 H new ATOM 0 HE1 PHE A 66 3.821 -0.167 -6.123 1.00 5.06 H new ATOM 0 HE2 PHE A 66 5.720 -3.487 -4.174 1.00 5.59 H new ATOM 0 HZ PHE A 66 4.127 -1.579 -4.095 1.00 6.16 H new ATOM 1035 N GLY A 67 6.890 -5.184 -7.974 1.00 0.95 N ATOM 1036 CA GLY A 67 6.442 -6.405 -7.330 1.00 0.73 C ATOM 1037 C GLY A 67 5.714 -6.070 -6.035 1.00 0.59 C ATOM 1038 O GLY A 67 6.292 -6.150 -4.952 1.00 0.65 O ATOM 0 H GLY A 67 7.860 -4.948 -7.765 1.00 0.95 H new ATOM 0 HA2 GLY A 67 5.780 -6.957 -7.997 1.00 0.73 H new ATOM 0 HA3 GLY A 67 7.295 -7.051 -7.121 1.00 0.73 H new ATOM 1042 N ALA A 68 4.440 -5.698 -6.155 1.00 0.68 N ATOM 1043 CA ALA A 68 3.551 -5.500 -5.019 1.00 0.68 C ATOM 1044 C ALA A 68 3.021 -6.860 -4.575 1.00 0.44 C ATOM 1045 O ALA A 68 2.898 -7.764 -5.400 1.00 0.51 O ATOM 1046 CB ALA A 68 2.390 -4.610 -5.462 1.00 1.05 C ATOM 0 H ALA A 68 3.994 -5.525 -7.056 1.00 0.68 H new ATOM 0 HA ALA A 68 4.079 -5.027 -4.191 1.00 0.68 H new ATOM 0 HB1 ALA A 68 1.713 -4.451 -4.623 1.00 1.05 H new ATOM 0 HB2 ALA A 68 2.777 -3.650 -5.803 1.00 1.05 H new ATOM 0 HB3 ALA A 68 1.851 -5.094 -6.276 1.00 1.05 H new ATOM 1052 N THR A 69 2.673 -7.013 -3.294 1.00 0.44 N ATOM 1053 CA THR A 69 1.989 -8.201 -2.827 1.00 0.47 C ATOM 1054 C THR A 69 1.157 -7.810 -1.616 1.00 0.54 C ATOM 1055 O THR A 69 1.703 -7.459 -0.573 1.00 0.59 O ATOM 1056 CB THR A 69 2.917 -9.411 -2.652 1.00 0.53 C ATOM 1057 OG1 THR A 69 2.173 -10.586 -2.398 1.00 1.35 O ATOM 1058 CG2 THR A 69 3.931 -9.208 -1.542 1.00 1.15 C ATOM 0 H THR A 69 2.859 -6.321 -2.568 1.00 0.44 H new ATOM 0 HA THR A 69 1.304 -8.575 -3.588 1.00 0.47 H new ATOM 0 HB THR A 69 3.461 -9.518 -3.590 1.00 0.53 H new ATOM 0 HG1 THR A 69 2.785 -11.344 -2.292 1.00 1.35 H new ATOM 0 HG21 THR A 69 4.562 -10.093 -1.460 1.00 1.15 H new ATOM 0 HG22 THR A 69 4.550 -8.340 -1.769 1.00 1.15 H new ATOM 0 HG23 THR A 69 3.410 -9.045 -0.599 1.00 1.15 H new ATOM 1066 N VAL A 70 -0.165 -7.803 -1.786 1.00 0.64 N ATOM 1067 CA VAL A 70 -1.102 -7.541 -0.713 1.00 0.57 C ATOM 1068 C VAL A 70 -1.422 -8.891 -0.080 1.00 0.56 C ATOM 1069 O VAL A 70 -1.875 -9.807 -0.764 1.00 0.67 O ATOM 1070 CB VAL A 70 -2.308 -6.759 -1.263 1.00 0.63 C ATOM 1071 CG1 VAL A 70 -3.252 -7.592 -2.142 1.00 0.75 C ATOM 1072 CG2 VAL A 70 -3.128 -6.113 -0.133 1.00 0.73 C ATOM 0 H VAL A 70 -0.612 -7.982 -2.685 1.00 0.64 H new ATOM 0 HA VAL A 70 -0.703 -6.899 0.073 1.00 0.57 H new ATOM 0 HB VAL A 70 -1.864 -5.991 -1.896 1.00 0.63 H new ATOM 0 HG11 VAL A 70 -4.074 -6.966 -2.488 1.00 0.75 H new ATOM 0 HG12 VAL A 70 -2.703 -7.978 -3.001 1.00 0.75 H new ATOM 0 HG13 VAL A 70 -3.650 -8.425 -1.562 1.00 0.75 H new ATOM 0 HG21 VAL A 70 -3.971 -5.570 -0.560 1.00 0.73 H new ATOM 0 HG22 VAL A 70 -3.498 -6.889 0.537 1.00 0.73 H new ATOM 0 HG23 VAL A 70 -2.497 -5.422 0.426 1.00 0.73 H new ATOM 1082 N ILE A 71 -1.101 -9.040 1.203 1.00 0.68 N ATOM 1083 CA ILE A 71 -1.360 -10.230 1.987 1.00 0.84 C ATOM 1084 C ILE A 71 -2.261 -9.835 3.160 1.00 0.87 C ATOM 1085 O ILE A 71 -2.317 -8.673 3.567 1.00 0.80 O ATOM 1086 CB ILE A 71 -0.038 -10.915 2.400 1.00 1.02 C ATOM 1087 CG1 ILE A 71 0.879 -10.056 3.292 1.00 1.17 C ATOM 1088 CG2 ILE A 71 0.750 -11.334 1.149 1.00 1.87 C ATOM 1089 CD1 ILE A 71 1.010 -10.647 4.696 1.00 1.47 C ATOM 0 H ILE A 71 -0.637 -8.306 1.738 1.00 0.68 H new ATOM 0 HA ILE A 71 -1.888 -10.984 1.404 1.00 0.84 H new ATOM 0 HB ILE A 71 -0.337 -11.778 2.995 1.00 1.02 H new ATOM 0 HG12 ILE A 71 1.866 -9.980 2.835 1.00 1.17 H new ATOM 0 HG13 ILE A 71 0.480 -9.044 3.358 1.00 1.17 H new ATOM 0 HG21 ILE A 71 1.680 -11.816 1.449 1.00 1.87 H new ATOM 0 HG22 ILE A 71 0.154 -12.031 0.560 1.00 1.87 H new ATOM 0 HG23 ILE A 71 0.975 -10.452 0.549 1.00 1.87 H new ATOM 0 HD11 ILE A 71 1.664 -10.015 5.297 1.00 1.47 H new ATOM 0 HD12 ILE A 71 0.026 -10.699 5.162 1.00 1.47 H new ATOM 0 HD13 ILE A 71 1.434 -11.649 4.631 1.00 1.47 H new